4-[(4Z)-4,5-difluoro-2-methylhepta-2,4-dien-3-yl]-2,6-dimethylmorpholine

C14H23F2NO — CID 143325462

IUPAC4-[(4Z)-4,5-difluoro-2-methylhepta-2,4-dien-3-yl]-2,6-dimethylmorpholine
SMILESCC/C(F)=C(/F)C(=C(C)C)N1CC(C)OC(C)C1
InChIInChI=1S/C14H23F2NO/c1-6-12(15)13(16)14(9(2)3)17-7-10(4)18-11(5)8-17/h10-11H,6-8H2,1-5H3/b13-12-
InChIKeyINTFRHHVQCYZAH-SEYXRHQNSA-N
MW259.34 g/mol
LogP3.95
Rot. Bonds3

About 4-[(4Z)-4,5-difluoro-2-methylhepta-2,4-dien-3-yl]-2,6-dimethylmorpholine

4-[(4Z)-4,5-difluoro-2-methylhepta-2,4-dien-3-yl]-2,6-dimethylmorpholine (PubChem CID 143325462) has the molecular formula C14H23F2NO and a molecular weight of 259.34 g/mol. Its IUPAC name is 4-[(4Z)-4,5-difluoro-2-methylhepta-2,4-dien-3-yl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[(4Z)-4,5-difluoro-2-methylhepta-2,4-dien-3-yl]-2,6-dimethylmorpholine
PubChem CID143325462
Molecular FormulaC14H23F2NO
Molecular Weight259.34 g/mol
Exact Mass259.17
IUPAC Name4-[(4Z)-4,5-difluoro-2-methylhepta-2,4-dien-3-yl]-2,6-dimethylmorpholine
SMILESCC/C(F)=C(/F)C(=C(C)C)N1CC(C)OC(C)C1
InChIInChI=1S/C14H23F2NO/c1-6-12(15)13(16)14(9(2)3)17-7-10(4)18-11(5)8-17/h10-11H,6-8H2,1-5H3/b13-12-
InChIKeyINTFRHHVQCYZAH-SEYXRHQNSA-N
XLogP3.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4Z)-4,5-difluoro-2-methylhepta-2,4-dien-3-yl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[(4Z)-4,5-difluoro-2-methylhepta-2,4-dien-3-yl]-2,6-dimethylmorpholine (CID 143325462) is 4-[(4Z)-4,5-difluoro-2-methylhepta-2,4-dien-3-yl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[(4Z)-4,5-difluoro-2-methylhepta-2,4-dien-3-yl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[(4Z)-4,5-difluoro-2-methylhepta-2,4-dien-3-yl]-2,6-dimethylmorpholine is CC/C(F)=C(/F)C(=C(C)C)N1CC(C)OC(C)C1.
What is the InChIKey of 4-[(4Z)-4,5-difluoro-2-methylhepta-2,4-dien-3-yl]-2,6-dimethylmorpholine?
The InChIKey is INTFRHHVQCYZAH-SEYXRHQNSA-N. The full InChI is InChI=1S/C14H23F2NO/c1-6-12(15)13(16)14(9(2)3)17-7-10(4)18-11(5)8-17/h10-11H,6-8H2,1-5H3/b13-12-.
What are the key properties of 4-[(4Z)-4,5-difluoro-2-methylhepta-2,4-dien-3-yl]-2,6-dimethylmorpholine?
4-[(4Z)-4,5-difluoro-2-methylhepta-2,4-dien-3-yl]-2,6-dimethylmorpholine has a molecular weight of 259.34 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4Z)-4,5-difluoro-2-methylhepta-2,4-dien-3-yl]-2,6-dimethylmorpholine is sourced from PubChem (CID 143325462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).